SCHEMBL620653

SCHEMBL620653

C=CCN(CC=C)CCOC(C)=S

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.39
KMT2A Q03164 6/20 0.39
MEN1 O00255 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 7/20 0.37
L3MBTL1 Q9Y468 2/20 0.35
POLB P06746 1/20 0.34
ATM Q13315 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HPGD P15428 1/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL618772 0.89 KDM4E (0.38) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL618085 0.80 KDM4E (0.46) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL28610203 0.80 KDM4E (0.39) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL619143 0.79 ALDH1A1 (0.34) ALDH1A1HPGD
SCHEMBL505741 0.76 THRB (0.46) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL609250 0.74 ALDH1A1 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1POLB
SCHEMBL13452219 0.73 KDM4E (0.40) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL86154 0.72 ALDH1A1 (0.52) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL11303924 0.72 KMT2A (0.44) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1
SCHEMBL561136 0.71 KMT2A (0.48) KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334339-B2 Conjugated diene-based polymer, conjugated diene-based polymer composition, and process for producing conjugated diene-based polymer SUMITOMO CHEMICAL CO., LTD. (JP) 2012-12-18 US disclosed
US-20120041134-A1 CONJUGATED DIENE-BASED POLYMER, CONJUGATED DIENE-BASED POLYMER COMPOSITION, AND PROCESS FOR PRODUCING CONJUGATED DIENE-BASED POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed